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Geoscientific Model Development An interactive open-access journal of the European Geosciences Union
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Volume 9, issue 1
Geosci. Model Dev., 9, 41-57, 2016
https://doi.org/10.5194/gmd-9-41-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.
Geosci. Model Dev., 9, 41-57, 2016
https://doi.org/10.5194/gmd-9-41-2016
© Author(s) 2016. This work is distributed under
the Creative Commons Attribution 3.0 License.

Model description paper 15 Jan 2016

Model description paper | 15 Jan 2016

PyXRD v0.6.7: a free and open-source program to quantify disordered phyllosilicates using multi-specimen X-ray diffraction profile fitting

M. Dumon and E. Van Ranst
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Cited articles  
Agbenin, J. O. and Tiessen, H.: Soil properties and their variations on two contiguous hill slopes in Northeast Brazil, Catena, 24, 147–161, 1995.
Aplin, A. C., Matenaar, I. F., McCarty, D. K., and van der Pluijm, B. A.: Influence of mechanical compaction and clay mineral diagenesis on the microfabric and pore-scale properties of deep-water Gulf of Mexico mudstones, Clays Clay Miner., 54, 500–514, 2006.
Blackwell, T., Branke, J., and Li, X.: Particle Swarms for Dynamic Optimization Problems, p. 193–217, in: Swarm Intelligence, edited by: Blum, C. and Merkle, D., Natural Computing Series, Springer Berlin Heidelberg, 2008.
Caner, L., Hubert, F., Moni, C., and Chenu, C.: Impact of clay mineralogy on stabilisation of organic matter in the clay fraction of a Neo-Luvisol and a Cambisol, p. 73–76, in: 19th World Congress of Soil Science: Soil Solutions for a Changing World, Brisbane, Australia, 2010.
Cornelis, J.-T., Weis, D., Lavkulich, L., Vermeire, M.-L., Delvaux, B., and Barling, J.: Silicon isotopes record dissolution and re-precipitation of pedogenic clay minerals in a podzolic soil chronosequence, Geoderma, 235–236, 19–29, 2014.
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This paper presents a FOSS model called PyXRD used to improve the quantification of complex mixed-layer phyllosilicate assemblages using X-ray diffraction. The novelty of this model is the ab initio incorporation of the multi-specimen method, making it possible to share phases and their parameters across multiple specimens. We present results from a comparison of PyXRD with Sybilla v2.2.2 and a number of theoretical experiments illustrating the use of the multi-specimen set-up.
This paper presents a FOSS model called PyXRD used to improve the quantification of complex...
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